Geometry & MOs

Info

ID:

396305

PubChem CID:

135028038

Reduced:

SN2Si2Cl3O11C43H71 (1)

Stoich.:

AB2C2D3E11F43G71 (1)

Weight, g/mol:

924.334897

ΔHf, kcal/mol:

-547.7

Dipole, Da:

9.19

IP(EA), eV:

 -8.41(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,6S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-9-hydroxy-9-[(R)-hydroxy-[(1S,5S,8R)-8,11,11-trimethyl-4-oxo-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-5-yl]methyl]-1-tri(propan-2-yl)silyloxy-3,11,12-trioxatetracyclo[6.3.1.02,6.05,10]dodecan-6-yl]-2,2,2-trichloroacetamide

Drug info:

PubChemData

Smile

CCOC1C2C3[C@](C4C([C@]2([C@H](O1)C(O3)(O4)O[Si](C(C)C)(C(C)C)C(C)C)NC(=O)C(Cl)(Cl)Cl)O[Si](C)(C)C(C)(C)C)([C@@H]([C@H]5C(=O)OC6[C@H]7CC[C@@](C6=N5)(C7(C)C)C)O)OCSC

DOS

IR

Vibrations